LoKI-GM:用于等离子体化学研究的全局模型框架
LoKI-GM: a global model framework for plasma chemistry studies
AI总结:
本文介绍了用于等离子体化学研究的开源LoKI-GM全局模型框架,其耦合LoKI-B玻尔兹曼求解器与LoKI-C化学求解器,具多种输运及表面动力学模型支持,可灵活应用于多种放电场景。
AI中文摘要:
全局(零维或空间平均)模型被广泛用于研究低温等离子体(LTPs)中的复杂化学反应,通过对等离子体采用空间平均描述,它们大幅降低了计算成本,同时仍能提供对等离子体中关键过程的可靠且详细的洞察。在最通用的表述中,全局模型涉及玻尔兹曼求解器(用于描述电子动力学)和化学求解器(用于描述重粒子动力学)的耦合求解。本文介绍了基于MATLAB开发、以开源代码形式提供的LisbOn Kinetics全局模型(LoKI-GM)框架教程。该框架耦合了玻尔兹曼求解器LoKI-B,它求解非磁化非平衡低温等离子体(由直流/高频电场或时变(非振荡)电场激发)的两电子项玻尔兹曼方程的空间无关形式;以及化学求解器LoKI-C,它求解等离子体和表面中主要带电及中性粒子的零维速率平衡方程组,输入为所研究气体/等离子体/表面系统的动力学方案。与其他全局化学模型相比,LoKI-GM的显著特征是包含多种输运模型以及对表面动力学模型的支持。我们简要介绍了LoKI-GM的表述,包括其数值求解策略、输入/输出参数,以及有源放电和余辉等离子体的计算工作流程。文中强调了其与现有全局模型的主要差异,并通过在一系列气体放电配置和操作条件下获得的代表性模拟结果,展示了该代码在等离子体化学研究中的灵活性。
英文摘要:
Global (zero-dimensional or spatially averaged) models are widely employed to study complex chemistries in low-temperature plasmas (LTPs). By adopting a spatially average description of the plasma, they substantially reduce the computational cost while still providing reliable and detailed insight into the key processes taking place in the plasma. In their most general formulation, global models involve the coupled solution of a Boltzmann solver (to describe the electron kinetics) and a Chemistry solver (to describe the heavy-species kinetics). This paper presents a tutorial on the LisbOn Kinetics Global Model (LoKI-GM) framework, developed in MATLAB and available as open-source code. The framework couples the Boltzmann solver LoKI-B, which solves the space-independent form of the two-term electron Boltzmann equation for non-magnetised non-equilibrium LTPs, excited by DC/HF electric fields or time-dependent (non-oscillatory) electric fields, and the Chemistry solver LoKI-C, which solves the system of zero-dimensional rate balance equations for the main charged and neutral species in the plasma and at the surface, receiving as input the kinetic schemes for the gas/plasma/surface system under study. The inclusion of several transport models together with support for surface kinetics models are distinguishing features of LoKI-GM compared with other global chemistry models. We briefly present the formulation of LoKI-GM, including its numerical solution strategy, input/output parameters, and calculation workflow for both active discharges and afterglow plasmas. The main differences with respect to existing global models are highlighted, and the flexibility of the code for plasma chemistry studies is demonstrated through representative simulation results obtained across a range of gas discharge configurations and operating conditions.